HIT ID: HIT212710437
Cas No: 18921-73-8
分子式: C20H19ClN6O5
分子量: 458.86
常用名: Chlorasquin
氢键受体数 (HBA): 10
氢键供体数 (HBD): 6
LogP: -0.7965732
IUPAC: (2S)-2-[(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}phenyl)formamido]butanedioic acid
IUPAC: (2S)-2-[(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}phenyl)formamido]butanedioic acid
SMILES: Nc1nc(N)c2c(Cl)c(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2n1
SMILES: Nc1nc(N)c2c(Cl)c(CNc3ccc(cc3)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2n1
InChI key: GWIBVUFMBFNYLT-ZDUSSCGKSA-N